3-Acetamidobenzenesulfonyl Chloride - CAS 23905-46-6
Catalog: |
BB018234 |
Product Name: |
3-Acetamidobenzenesulfonyl Chloride |
CAS: |
23905-46-6 |
Synonyms: |
3-acetamidobenzenesulfonyl chloride; 3-acetamidobenzenesulfonyl chloride |
IUPAC Name: | 3-acetamidobenzenesulfonyl chloride |
Description: | 3-Acetamidobenzenesulfonyl Chloride (CAS# 23905-46-6) is a useful research chemical. |
Molecular Weight: | 233.67 |
Molecular Formula: | C8H8ClNO3S |
Canonical SMILES: | CC(=O)NC1=CC(=CC=C1)S(=O)(=O)Cl |
InChI: | InChI=1S/C8H8ClNO3S/c1-6(11)10-7-3-2-4-8(5-7)14(9,12)13/h2-5H,1H3,(H,10,11) |
InChI Key: | BSNCGXHXSOEIEZ-UHFFFAOYSA-N |
Boiling Point: | 437.1 °C at 760 mmHg |
Density: | 1.468 g/cm3 |
Appearance: | Solid |
MDL: | MFCD02222873 |
LogP: | 2.72630 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
KR-20210057680-A | Novel quinoline compounds and uses thereof | 20191111 |
WO-2021096335-A1 | Novel quinoline compound and use thereof | 20191111 |
US-2019382365-A1 | Inhibitors of oplophorus luciferase-derived bioluminescent complexes | 20180601 |
WO-2019232384-A1 | Inhibitors of oplophorus luciferase-derived bioluminescent complexes | 20180601 |
EP-3802514-A1 | Inhibitors of oplophorus luciferase-derived bioluminescent complexes | 20180601 |
Complexity: | 309 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.9913420 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.9913420 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 71.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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